6-Nitro-2-pentofuranosyl-2h-indazole
Basic information
- CAS
28084-00-6- Standard SMILES
O=[N+]([O-])c1ccc2cn(C3OC(CO)C(O)C3O)nc2c1- InChIKey
PNFTYONPTUYWEV-UHFFFAOYSA-N- Molecular formula
- C12H13N3O6
- Average molar mass
- 295.25 g/mol
- Monoisotopic mass
- 295.08043514
Names & identifiers
- Preferred name
- 6-Nitro-2-pentofuranosyl-2h-indazole
- IUPAC
- 2-(hydroxymethyl)-5-(6-nitroindazol-2-yl)oxolane-3,4-diol
Names & synonyms
MLS00292012728084-00-66-nitro-2-pentofuranosyl-2h-indazoleNSC131916CHEMBL1902346DTXSID00950814NSC-131916SMR001797724
Database identifiers
- CAS
28084-00-6- PubChem CID
- 280329
- DTXSID
DTXSID00950814- ChEMBL
CHEMBL1902346
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 405
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Related reactions
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Compound notes
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